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Title: THEORY AND MODELING OF CORRELATED ELECTRON MATERIALS

Abstract

No abstract prepared.

Authors:
; ;
Publication Date:
Research Org.:
Los Alamos National Lab., NM (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
785027
Report Number(s):
LA-UR-99-2842
TRN: US0302418
DOE Contract Number:
W-7405-ENG-36
Resource Type:
Conference
Resource Relation:
Conference: Conference title not supplied, Conference location not supplied, Conference dates not supplied; Other Information: PBD: 1 Nov 1999
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ELECTRONS; COMPUTERIZED SIMULATION; MATERIALS; MATHEMATICAL MODELS; CORRELATIONS

Citation Formats

A. BALATSKY, A. BISHOP, and ET AL. THEORY AND MODELING OF CORRELATED ELECTRON MATERIALS. United States: N. p., 1999. Web.
A. BALATSKY, A. BISHOP, & ET AL. THEORY AND MODELING OF CORRELATED ELECTRON MATERIALS. United States.
A. BALATSKY, A. BISHOP, and ET AL. 1999. "THEORY AND MODELING OF CORRELATED ELECTRON MATERIALS". United States. doi:. https://www.osti.gov/servlets/purl/785027.
@article{osti_785027,
title = {THEORY AND MODELING OF CORRELATED ELECTRON MATERIALS},
author = {A. BALATSKY and A. BISHOP and ET AL},
abstractNote = {No abstract prepared.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 1999,
month =
}

Conference:
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  • A comprehensive theory of the correlation driven metal insulator transition in 1D and 2D strongly correlated electron systems is given. In both the 1D and 2D Hubbard model the metal insulator transition encountered close to half filling is of Pokrovsky-Talapov type. An important consequence of this in the 2D Hubbard model is the break down of the Fermi liquid theory. We also describe in detail the properties of the Pokrovsky-Talapov transition in 2D ferroelectrics.
  • The parquet formalism to calculate the two-particle Green s functions of large systems requires the solution of a large, sparse, complex system of quadratic equations. If Nf Matsubara frequencies are used for a system of size Nc , and Newton s method is used to solve the nonlinear system, the Jacobian system has O(8Nt^3 ) variables and O(40Nt^4 ) complex entries where Nt = Nc Nf . For Nt = 1024, the nonlinear system has over 8.5 billion degrees of freedom and the sparse Jacobian will require over 351 TBytes of memory. The Jacobian is very expensive to store butmore » the matrix-vector products can be computed directly. We are developing a highly scalable parallel solver that uses both OpenMP and MPI to exploit the multicore nodes. We present initial scalability results on the Cray XT5 that suggests the code can be scaled to solve larger problems with Nt 1024.« less
  • Liquid metallic cesium, taken up the liquid-vapor coexistence curve towards the critical point, exhibits a crossover from Pauli spin paramagnetism near freezing to Curie-like behavior near criticality. This transition is discussed in terms of conventional Fermi liquid theory at low temperatures and heavy Fermion behavior on approaching the critical region. The maximum in the magnetic susceptibility permits an estimate of the discontinuity q in the momentum distribution at the corresponding density, and this has recently been checked independently using NMR data. An argument is presented, via q, which links a nonequilibrium transport property, namely, electronic conductivity, to a thermodynamic quantity,more » the magnetic susceptibility. With the above as background, a search has been made for related correlations in the normal state of the high T{sub c} and electrical resistivity R. This is borne out, at least partially, by available experiments. In the same context, the antiferromagnetic susceptibility X(Q), with Q the antiferromagnetic wave number, is linked with T{sub 1} and R. Finally some brief comments are made on the interpretation of Hall and thermopower measurements.« less
  • No abstract prepared.
  • A better understanding of the electronic structure of correlated electron materials, such as transition metal oxides, sulfides, and phosphides, may be realized by improving the energy resolution for Resonant Inelastic X-ray Spectroscopy (RIXS). Current models based on the interplay between on-site Coulomb interaction, charge-transfer energy, and overlap of energy bands require a quantitative knowledge of location and dispersion of electronic energy levels near the Fermi level with a resolution better that the existing spectrometers, which vary between 100 meV and 500 meV in the energy range of 5-10 keV. Here, we propose a new spectrometer based on a back-reflecting sapphiremore » analyzer that will improve the energy resolution to 30 meV for Fe, Ni, Cu, and Zn K-absorption-edge RIXS studies.« less